N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide

C15H21IN2O2 — CID 107732198

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H21IN2O2/c1-10-4-2-3-7-15(10,9-17)18-14(20)12-8-11(16)5-6-13(12)19/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H,18,20)
InChIKeySIIBZUZOQUYHRI-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107732198) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
PubChem CID107732198
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H21IN2O2/c1-10-4-2-3-7-15(10,9-17)18-14(20)12-8-11(16)5-6-13(12)19/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H,18,20)
InChIKeySIIBZUZOQUYHRI-UHFFFAOYSA-N
XLogP2.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
2-hydroxy-5-iodo-N-(1-methylcyclobutyl)benzamide
CID 103525844
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732635

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide (CID 107732198) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide is CC1CCCCC1(CN)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is SIIBZUZOQUYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-10-4-2-3-7-15(10,9-17)18-14(20)12-8-11(16)5-6-13(12)19/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H,18,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 388.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107732198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).